New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra. - Wikidata - awgldk - TriplyDB

New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra.

New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra.

http://www.wikidata.org/entity/Q41836034

about

Circularly Polarized Luminescence: A Review of Experimental and Theoretical Aspects.Simulation of Vacuum UV Absorption and Electronic Circular Dichroism Spectra of Methyl Oxirane: The Role of Vibrational Effects.CC/DFT Route toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study.Anharmonic Effects on Vibrational Spectra Intensities: Infrared, Raman, Vibrational Circular Dichroism, and Raman Optical Activity The Virtual Multifrequency Spectrometer: a new paradigm for spectroscopy.Simulation of Vibronic Spectra of Flexible Systems: Hybrid DVR-Harmonic Approaches.General formulation of vibronic spectroscopy in internal coordinates.Circularly Polarized Luminescence from Axially Chiral BODIPY DYEmers: An Experimental and Computational Study.Solvation dependence observed in the electronic dissymmetry factor spectra: how much information are we missing by analyzing the circular dichroism spectra alone?Computational simulation of vibrationally resolved spectra for spin-forbidden transitions.

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P2860

New developments of a multifrequency virtual spectrometer: stereo-electronic, dynamical, and environmental effects on chiroptical spectra.

http://www.wikidata.org/entity/Q41836034

description

2014 nî lūn-bûn

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2014年の論文

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2014年論文

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2014年論文

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2014年論文

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2014年論文

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2014年論文

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2014年论文

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2014年论文

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2014年论文

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name

New developments of a multifre ...... ffects on chiroptical spectra.

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New developments of a multifre ...... ffects on chiroptical spectra.

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New developments of a multifre ...... ffects on chiroptical spectra.

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New developments of a multifre ...... effects on chiroptical spectra

@en

P2093

Alberto Baiardi

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Julien Bloino

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P2860

Density-functional thermochemistry. III. The role of exact exchange

A Theory of Intensity Distribution in Band Systems

Nuclear Motions Associated with Electron Transitions in Diatomic Molecules

Experimental and calculated CPL spectra and related spectroscopic data of camphor and other simple chiral bicyclic ketones.

Screened-exchange density functionals with broad accuracy for chemistry and solid-state physics.

Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation.

Renaissance in chiroptical spectroscopic methods for molecular structure determination.

Quantum mechanical computations and spectroscopy: from small rigid molecules in the gas phase to large flexible molecules in solution.

Computing chiroptical properties with first-principles theoretical methods: background and illustrative examples.

Implementation and validation of a multi-purpose virtual spectrometer for large systems in complex environments.

P304

588-600

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scholarly article

P356

10.1002/CHIR.22325

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P433

9

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P478

26

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Vincenzo Barone

Alberto Baiardi

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2014-05-17T00:00:00Z

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24839096

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4604663

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